5-(4-methoxyphenyl)-1-phenethyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole

Systemtic Name: 5-(4-methoxyphenyl)-1-phenethyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-1-phenethyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-1-phenethyl-3-[3-(1-pyrrolidinylmethyl)phenyl]-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-1-phenethyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-1-phenethyl-3-[3-(pyrrolidinomethyl)phenyl]-1,2,4-triazole Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CCC3=CC=CC=C3)C4=CC(=CC=C4)CN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CCC3=CC=CC=C3)C4=CC(=CC=C4)CN5CCCC5

InChI

InChI=1S/C28H30N4O/c1-33-26-14-12-24(13-15-26)28-29-27(30-32(28)19-16-22-8-3-2-4-9-22)25-11-7-10-23(20-25)21-31-17-5-6-18-31/h2-4,7-15,20H,5-6,16-19,21H2,1H3